N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C12H14F3N7O — CID 138025387

IUPACN-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCc1nc(NC(=O)N2CCn3c(cnc3C(F)(F)F)C2)nn1C
InChIInChI=1S/C12H14F3N7O/c1-7-17-10(19-20(7)2)18-11(23)21-3-4-22-8(6-21)5-16-9(22)12(13,14)15/h5H,3-4,6H2,1-2H3,(H,18,19,23)
InChIKeySGGXRPGVQAGWMA-UHFFFAOYSA-N
MW329.29 g/mol
LogP1.39
Rot. Bonds1

About N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 138025387) has the molecular formula C12H14F3N7O and a molecular weight of 329.29 g/mol. Its IUPAC name is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID138025387
Molecular FormulaC12H14F3N7O
Molecular Weight329.29 g/mol
Exact Mass329.12
IUPAC NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCc1nc(NC(=O)N2CCn3c(cnc3C(F)(F)F)C2)nn1C
InChIInChI=1S/C12H14F3N7O/c1-7-17-10(19-20(7)2)18-11(23)21-3-4-22-8(6-21)5-16-9(22)12(13,14)15/h5H,3-4,6H2,1-2H3,(H,18,19,23)
InChIKeySGGXRPGVQAGWMA-UHFFFAOYSA-N
XLogP1.39
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 138025387) is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is Cc1nc(NC(=O)N2CCn3c(cnc3C(F)(F)F)C2)nn1C.
What is the InChIKey of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is SGGXRPGVQAGWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N7O/c1-7-17-10(19-20(7)2)18-11(23)21-3-4-22-8(6-21)5-16-9(22)12(13,14)15/h5H,3-4,6H2,1-2H3,(H,18,19,23).
What are the key properties of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 329.29 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 138025387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).